Teleocidin B-1
(6S,9S,14S,17R)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
Also Known As: Teleocidin B-1|Teleocidin B1|Teleocidin B 1|Teleocidin B|TELEOCIDINB-1|Ethene, 1,2-dinitro-, (Z)-|6H-Benzo(g)(1,4)diazonino(7,6,5-cd)indol-6-one, 13-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(hydroxymethyl)-8,10,13-trimethyl-7,10-bis(1-methylethyl)-, (4S,7S,10S,13R)-|6H-Benzo(g)(1,4)diazonino(7,6,5-cd)indol-6-one, 13-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(hydroxymethyl)-8,10,13-trimethyl-7,10-bis(1-methylethyl)-, (4S-(4R*,7R*,10R*,13S*))-|(6S,9S,14S,17R)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one|(4S,7S,10S,13R)-13-Ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(hydroxymethyl)-8,10,13-trimethyl-7,10-diisopropyl-6H-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one|(4s,7s,10s,13r)-13-ethenyl-4-(hydroxymethyl)-8,10,13-trimethyl-7,10-di(propan-2-yl)-1,3,4,5,7,8,10,11,12,13-decahydro-6h-benzo[g][1,4]diazonino[7,6,5-cd]indol-6-one|(6S,9S,14S,17R)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-bis(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one|(6S,9S,14S,17R)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo(9.7.1.04,19.013,18)nonadeca-1(18),3,11(19),12-tetraen-8-one|6H-BENZO(G)(1,4)DIAZONINO(7,6,5-CD)INDOL-6-ONE, 13-ETHENYL-1,3,4,5,7,8,10,11,12,13-DECAHYDRO-4-(HYDROXYMETHYL)-8,10,13-TRIMETHYL-7,10-BIS(1-METHYLETHYL)-, (4S-(4R*,7R*,10R*,13R*))-
| Molecular Formula | C28H41N3O2 |
|---|---|
| Molecular Weight | 451.3199 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.3199 |
| Monoisotopic Mass | 451.3199 |
| Heavy Atoms | 33 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 95044-97-6 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C4C(=CC(=C23)N1C)[C@](CC[C@]4(C)C=C)(C)C(C)C)CO |
| InChIKey | PEYTUVXFLCCGCC-VCJXGGRGSA-N |
Product Overview
Teleocidin B-1 (CAS 95044-97-6), with molecular formula C28H41N3O2 and molecular weight 451.3199 g/mol. IUPAC: (6S,9S,14S,17R)-17-ethenyl-6-(hydroxymethyl)-10,14,17-trimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one.